Chemical ID: 5136163

Cc1cc(nc(n1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl)O
Chemical ID:
5136163
Name [?]:
2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl)O
InChi [?]:
InChI=1/C13H10Cl3N3O2S/c1-6-2-10(20)19-13(17-6)22-5-11(21)18-12-8(15)3-7(14)4-9(12)16/h2-4H,5H2,1H3,(H,18,21)(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,9,2,16,14,18,4,10,13,6,20,21,19,7,12,5,22,11,8/E:(3,4)(8,9)(15,16)/rA:22nCCCCNCNSCCONCCCCCCClClClO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10Cl3N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4462
Area:563.944
Solvation:-3.65236
Coulombic:-47.9475
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.662
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):2.85

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Descriptor Annotations

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